8-(1,3-diphenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1,3-diphenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzyl-2-phenyl-propyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1,3-diphenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1,3-diphenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzyl-2-phenyl-propyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC3=CC=CC=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC3=CC=CC=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-4-16-30-25-23(26(32)31(17-5-2)27(30)33)28-24(29-25)22(18-20-12-8-6-9-13-20)19(3)21-14-10-7-11-15-21/h6-15,19,22H,4-5,16-18H2,1-3H3,(H,28,29)